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Compound Detail

CHEMBL3765299

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C=CCc1ccc(O)c(-c2cc(CC=C)cc(C=O)c2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765299
Phase Preclinical
Structure Type MOL
InChI Key JCJFJPMFRXXYMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.03
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O3
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.03

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 630.0 nM 6.2 Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP/CB... 26928286

Literature References

PubMed DOI Target Context # Activities
26928286 10.1016/j.bmc.2016.01.049 NON-PROTEIN TARGET 3
26928286 10.1016/j.bmc.2016.01.049 Neutrophil 1

Data from ChEMBL 36 via Core Engine